8XK7

binary complex of DNA polymerase SFM4-3 recognizing C2 methyoxy nucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	61.610, 65.628, 107.378
Unit cell angles	90.00, 103.51, 90.00

Refinement procedure

Resolution	24.410 - 2.000
R-factor	0.19347
Rwork	0.192
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.363
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.135	0.106	0.586
Rmeas	0.148	0.117	0.640
Rpim	0.060	0.049	0.255
Total number of observations	343365
Number of reflections	55909	2856	2777
<I/σ(I)>	4.3
Completeness [%]	98.8	96.7	99.7
Redundancy	6.1	5.6	6.3
CC(1/2)	0.974	0.989	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M lithium sulfate monohydrate, 0.1 M HEPES pH 7.5, and 28% PEG 3350